Knowledge-Guided Machine Learning: A Paradigm Shift in AI for Science

Abstract As advances in artificial intelligence (AI) and machine learning (ML) continue to transform commercial applications, the scientific community is increasingly eager to harness AI/ML’s power to accelerate modeling and discovery. However, purely data-driven AI methods often lack interpretability, generalizability, and consistency with established scientific principles. Conversely, traditional process-based models embody deep scientific knowledge but suffer from limited scalability or incomplete representation of complex systems. Knowledge-guided machine learning (KGML) offers a promising path forward by integrating scientific knowledge with data-driven approaches to produce AI models that are robust, trustworthy, and capable of advancing both AI and science. This talk summarizes the foundations of KGML, outlines a taxonomy for organizing research efforts, and highlights emerging opportunities for broad scientific impact.